SCHEMBL380792

SCHEMBL380792

Nc1ncc(Cc2ccccc2)c(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8377343 0.98 DHFR (0.65) DHFR
Water SCHEMBL28837029 0.98 DHFR (0.65) DHFR
SCHEMBL9159357 0.87 DHFR (0.76) DHFR
SCHEMBL8902491 0.86 DHFR (0.68) DHFR
SCHEMBL1317138 0.84 DHFR (0.54) DHFR
Sulfanilamide SCHEMBL28020128 0.83
SCHEMBL3962268 0.83 DHFR (0.60) DHFR
SCHEMBL6415423 0.82 DHFR (0.49) DHFR
SCHEMBL3937299 0.82 DHFR (0.68) DHFR
SCHEMBL11286352 0.82 DHFR (0.68) DHFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 263 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP claimed
EP-1230224-B1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2004-12-29 EP claimed
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP claimed
EP-1230224-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-14 EP claimed
WO-2001032633-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 WO claimed
EP-0901473-A1 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS EGIS GYOGYSZERGYAR RT. (HU) 1999-03-17 EP claimed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP claimed
WO-1997016429-A1 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS EGIS Gyógyszergyár Rt. (HU) 1997-05-09 WO claimed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO claimed
EP-0231888-B1 SUBSTITUTED 2,4-DIAMINO-5-BENZYL PYRIMIDINES, THEIR PREPARATION AND THEIR USE AS MEDICINES HAVING AN ANTIMICROBIAN ACTIVITY Fatol Arzneimittel GmbH (DE) 1992-12-30 EP claimed
EP-0048298-A1 Use of embonates of 2,4-diamino-benzyl pyrimidines LUDWIG HEUMANN & CO GMBH (DE) 1982-03-31 EP claimed
EP-0003212-B1 2.4-DIAMINO-5-BENZYLPYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-03-17 EP claimed
US-4315932-A AND SULFANILAMIDES BURROUGHS WELLCOME CO. (US) 1982-02-16 US claimed
EP-0037501-A1 Pharmaceutical preparations and manufacature F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-10-14 EP claimed
EP-0000334-B1 2,4-DIAMINO-5-BENZYL-PYRIMIDINES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM BASF Aktiengesellschaft (DE) 1981-08-12 EP claimed
US-4216319-A Synthesis of 2,4-diamino-5-benzylpyrimidines using benzyl cyanoacetal intermediates BURROUGHS WELLCOME CO. (US) 1980-08-05 US claimed
EP-0006987-A1 2,4-Diamino-5-benzylpyrimidines, especially for the treatment of microbial infections, pharmaceutical compositions containing these compounds and processes for preparing these compounds THE WELLCOME FOUNDATION LIMITED (GB) 1980-01-23 EP claimed
EP-0003212-A1 2.4-Diamino-5-benzylpyrimidines, pharmaceutical compositions containing them and their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-08-08 EP claimed
US-4116958-A ORGANIC SYNTHETIC METHODS BENZYLPYRIMIDINE DERIVATIVES BURROUGHS WELLCOME CO. (US) 1978-09-26 US claimed
US-4094976-A ANTICOCCIDIAL CYCLICAMINO ETHANOLS AND ESTERS THEREOF MERCK & CO., INC. (US) 1978-06-13 US claimed